RefChem:464055
TL;DR: RefChem:464055 (CAS 441783-26-2) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-(2,5-DIMETHYL-3-THIENYL)-1-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 647-811-1
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 4.57792 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1185.2299 |
Chemical Identifiers
| CAS Number | 441783-26-2 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N |
Product Overview
RefChem:464055 (CAS 441783-26-2), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464055
Property Insights of RefChem:464055
The XLogP value of 4.57792 indicates that RefChem:464055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:464055. Following Lipinski's Rule of Five, RefChem:464055 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:464055?
The CAS number of RefChem:464055 is 441783-26-2.
What is the molecular formula of RefChem:464055?
The molecular formula of RefChem:464055 is C22H20N4O3S.
What is the molecular weight of RefChem:464055?
The molecular weight of RefChem:464055 is 420.13 g/mol.
Where can I buy RefChem:464055?
You can request a quote for RefChem:464055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.